Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
SMILES Cc1nc2c([nH]1)cccc2
InChI Key LDZYRENCLPUXAX-UHFFFAOYSA-N
Molecular Formula C8H8N2
Exact Mass 132.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDZYRENCLPUXAX-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/LDZYRENCLPUXAX-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:57:00.663831
MetadataModified 2025-01-29T16:48:39.848566
MetadataPublished 2024-12-09
Related Molecule
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
11984 PubChem
ZH8IWW7Y8B FDA SRS
30304-58-6 ACToR
SCHEMBL111276 SureChEMBL
15194531 PubChem: Thomson Pharma
528044 eMolecules
76050 NMRShiftDB
MCULE-7622017709 Mcule
CB5439553 ChemicalBook
CHEMBL309135 ChEMBL
DTXSID5060641 EPA CompTox Dashboard
8P7 PDBe
ZINC000000164607 ZINC
50404850 BindingDB
194887 ChEBI
HMDB0245225 Human Metabolome Database
KOWYEA CCDC
J3.001E Nikkaji
The data in this table is sourced from UniChem at EBI.